(2S)-2-hydroxypropanethioic S-acid

C3H6O2S — CID 21115383

IUPAC(2S)-2-hydroxypropanethioic S-acid
SMILESC[C@H](O)C(=O)S
InChIInChI=1S/C3H6O2S/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKeyUKGVIOAJJOUOII-REOHCLBHSA-N
MW106.15 g/mol
LogP-0.18
Rot. Bonds1

About (2S)-2-hydroxypropanethioic S-acid

(2S)-2-hydroxypropanethioic S-acid (PubChem CID 21115383) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is (2S)-2-hydroxypropanethioic S-acid.

Molecular Properties

Compound Name(2S)-2-hydroxypropanethioic S-acid
PubChem CID21115383
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Name(2S)-2-hydroxypropanethioic S-acid
SMILESC[C@H](O)C(=O)S
InChIInChI=1S/C3H6O2S/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKeyUKGVIOAJJOUOII-REOHCLBHSA-N
XLogP-0.18
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxypropanethioic S-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxypropanethioic S-acid?
The IUPAC name of (2S)-2-hydroxypropanethioic S-acid (CID 21115383) is (2S)-2-hydroxypropanethioic S-acid.
What is the SMILES notation for (2S)-2-hydroxypropanethioic S-acid?
The canonical SMILES for (2S)-2-hydroxypropanethioic S-acid is C[C@H](O)C(=O)S.
What is the InChIKey of (2S)-2-hydroxypropanethioic S-acid?
The InChIKey is UKGVIOAJJOUOII-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6O2S/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1.
What are the key properties of (2S)-2-hydroxypropanethioic S-acid?
(2S)-2-hydroxypropanethioic S-acid has a molecular weight of 106.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxypropanethioic S-acid is sourced from PubChem (CID 21115383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).